Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | CTSK | P43235 | 4/20 | 0.46 |
| ▸ | CTSS | P25774 | 3/20 | 0.46 |
| ▸ | PPARA | Q07869 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | PPARG | P37231 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | SYK | P43405 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.40 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL21458417 | 0.90 | MAPT (0.47) | TSHRCTSKCTSSPPARACYP1A2 | |
| SCHEMBL21458419 | 0.90 | MAPT (0.47) | TSHRCTSKCTSSPPARACYP1A2 | |
| SCHEMBL7757120 | 0.89 | CTSK (0.51) | CTSKCTSSPPARAPPARGMAPT | |
| SCHEMBL26932275 | 0.87 | TSHR (0.40) | TSHRCTSKCTSSPPARACYP1A2 | |
| SCHEMBL13167953 | 0.87 | CTSS (0.42) | TSHRCTSKCTSSCYP1A2CYP2C9 | |
| SCHEMBL13929424 | 0.86 | TSHR (0.51) | TSHRCTSKCTSSCYP1A2CYP2C9 | |
| SCHEMBL27763891 | 0.86 | TSHR (0.51) | TSHRCTSKCTSSCYP1A2CYP2C9 | |
| SCHEMBL1274264 | 0.86 | TSHR (0.51) | TSHRCTSKCTSSCYP1A2CYP2C9 | |
| SCHEMBL17846052 | 0.86 | CTSK (0.51) | CTSKCTSSPPARAPPARGMAPT | |
| SCHEMBL12733028 | 0.86 | SMN1; SMN2 (0.46) | TSHRALDH1A1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016095088-A1 | ERK INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2016-06-23 | — | — | WO | disclosed |